(9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione

C15H17NO2 — CID 2202571

IUPAC(9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
SMILESCc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C[C@H]2C
InChIInChI=1S/C15H17NO2/c1-8-5-6-10-9(2)7-15(3,4)16-12(10)11(8)13(17)14(16)18/h5-6,9H,7H2,1-4H3/t9-/m1/s1
InChIKeyWDCRHFDWGSWJCT-SECBINFHSA-N
MW243.31 g/mol
LogP2.81
Rot. Bonds

About (9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione

(9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione (PubChem CID 2202571) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione.

Molecular Properties

Compound Name(9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
PubChem CID2202571
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
SMILESCc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C[C@H]2C
InChIInChI=1S/C15H17NO2/c1-8-5-6-10-9(2)7-15(3,4)16-12(10)11(8)13(17)14(16)18/h5-6,9H,7H2,1-4H3/t9-/m1/s1
InChIKeyWDCRHFDWGSWJCT-SECBINFHSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
CID 2952749
6-bromo-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
CID 162787502
(9S)-6-ethyl-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
CID 6578030
(5Z)-5-(9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-ylidene)-1,3-thiazolidine-2,4-dione
CID 11947613
(9R)-9,11,11-trimethyl-3-[3-(trifluoromethyl)phenyl]imino-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 1494684
(9S)-3-(4-methoxyphenyl)imino-6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 7340038
10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
CID 175653716
4,7-dimethyl-1-(oxiran-2-ylmethyl)indole-2,3-dione
CID 61356944
3-(4-ethoxyphenyl)imino-6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 4899152
(9R)-3-(3-chlorophenyl)imino-6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 7342030
2-(2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl)pentanehydrazide
CID 132650229
7-bromo-1,4-dimethylindole-2,3-dione
CID 164567048

Frequently Asked Questions

What is the IUPAC name of (9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The IUPAC name of (9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione (CID 2202571) is (9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione.
What is the SMILES notation for (9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The canonical SMILES for (9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione is Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C[C@H]2C.
What is the InChIKey of (9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The InChIKey is WDCRHFDWGSWJCT-SECBINFHSA-N. The full InChI is InChI=1S/C15H17NO2/c1-8-5-6-10-9(2)7-15(3,4)16-12(10)11(8)13(17)14(16)18/h5-6,9H,7H2,1-4H3/t9-/m1/s1.
What are the key properties of (9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
(9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione has a molecular weight of 243.31 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-5,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione is sourced from PubChem (CID 2202571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).